CID 908

[(iminiomethyl)amino]acetate

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C(C(=O)O)N=CN
InChI
InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)
InChIKey
LLKCTZRWBHOKFF-UHFFFAOYSA-N
Compound name
2-(aminomethylideneamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

170
Patents

102.04293 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 117.1
[M+Na]+ 125.03215 124.2
[M-H]- 101.03565 117.3
[M+NH4]+ 120.07675 139.2
[M+K]+ 141.00609 124.4
[M+H-H2O]+ 85.040190 112.1
[M+HCOO]- 147.04113 143.1
[M+CH3COO]- 161.05678 169.4
[M+Na-2H]- 123.01760 123.7
[M]+ 102.04238 115.2
[M]- 102.04348 115.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe